N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-(4-phenylpiperazino)sulfonyl-benzamide Formula: C25H24N4O3S3 MolecularWeight: 524.67806

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O3S3/c1-33-25-27-22-11-10-19(17-23(22)34-25)26-24(30)18-6-5-9-21(16-18)35(31,32)29-14-12-28(13-15-29)20-7-3-2-4-8-20/h2-11,16-17H,12-15H2,1H3,(H,26,30)